ethyl 3-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8016-0166 |
| Compound Name: | ethyl 3-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 444.83 |
| Molecular Formula: | C21 H17 Cl N2 O7 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(C1=Cc2cc(ccc2OC1=O)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7037 |
| logD: | 3.6941 |
| logSw: | -4.3989 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.744 |
| InChI Key: | BZSOTALZNLRZBR-KRWDZBQOSA-N |